sodium 2-(4-methylphenyl)-2-oxidanylidene-ethanesulfonate

Systemtic Name: sodium 2-(4-methylphenyl)-2-oxidanylidene-ethanesulfonate Openeye Name: sodium 2-oxo-2-(p-tolyl)ethanesulfonate CAS Name: sodium 2-(4-methylphenyl)-2-oxoethanesulfonate IUPAC Name: sodium 2-(4-methylphenyl)-2-oxoethanesulfonate Traditional Name: sodium 2-keto-2-(p-tolyl)ethanesulfonate Formula: C9H9NaO4S MolecularWeight: 236.22013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H10O4S.Na/c1-7-2-4-8(5-3-7)9(10)6-14(11,12)13;/h2-5H,6H2,1H3,(H,11,12,13);/q;+1/p-1